MolBench
A benchmark for molecular property prediction and affinity comparison, typically comprising target-ligand pairing and activity ranking tasks. It is used to evaluate the screening and optimization capabilities of molecular agents, assessing how well such systems identify promising candidates and rank compounds by binding activity across a range of molecular tasks.
Timeline (last 90 days)
Without evolution enabled, DrugHarness exceeds the previously reported MolClaw-CC results on MolBench by 10.8 percentage points in affinity comparison accuracy and by 55% in the average number of top-three active hits.
MolBench is a benchmark for molecular property prediction and affinity comparison, typically including target-ligand pairing and activity ranking tasks.
All Facts (2)
Without evolution enabled, DrugHarness exceeds the previously reported MolClaw-CC results on MolBench by 10.8 percentage points in affinity comparison accuracy and by 55% in the average number of top-three active hits.
50%UnverifiedMolBench is a benchmark for molecular property prediction and affinity comparison, typically including target-ligand pairing and activity ranking tasks.
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